1-methyl-N-(4-piperidin-1-ylphenyl)imidazole-4-sulfonamide

C15H20N4O2S — CID 2814215

IUPAC1-methyl-N-(4-piperidin-1-ylphenyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C15H20N4O2S/c1-18-11-15(16-12-18)22(20,21)17-13-5-7-14(8-6-13)19-9-3-2-4-10-19/h5-8,11-12,17H,2-4,9-10H2,1H3
InChIKeyPECCAKLYYBKQMU-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.21
Rot. Bonds4

About 1-methyl-N-(4-piperidin-1-ylphenyl)imidazole-4-sulfonamide

1-methyl-N-(4-piperidin-1-ylphenyl)imidazole-4-sulfonamide (PubChem CID 2814215) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-methyl-N-(4-piperidin-1-ylphenyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(4-piperidin-1-ylphenyl)imidazole-4-sulfonamide
PubChem CID2814215
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1-methyl-N-(4-piperidin-1-ylphenyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C15H20N4O2S/c1-18-11-15(16-12-18)22(20,21)17-13-5-7-14(8-6-13)19-9-3-2-4-10-19/h5-8,11-12,17H,2-4,9-10H2,1H3
InChIKeyPECCAKLYYBKQMU-UHFFFAOYSA-N
XLogP2.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-piperidin-1-ylphenyl)imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(4-piperidin-1-ylphenyl)imidazole-4-sulfonamide (CID 2814215) is 1-methyl-N-(4-piperidin-1-ylphenyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(4-piperidin-1-ylphenyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(4-piperidin-1-ylphenyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of 1-methyl-N-(4-piperidin-1-ylphenyl)imidazole-4-sulfonamide?
The InChIKey is PECCAKLYYBKQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-18-11-15(16-12-18)22(20,21)17-13-5-7-14(8-6-13)19-9-3-2-4-10-19/h5-8,11-12,17H,2-4,9-10H2,1H3.
What are the key properties of 1-methyl-N-(4-piperidin-1-ylphenyl)imidazole-4-sulfonamide?
1-methyl-N-(4-piperidin-1-ylphenyl)imidazole-4-sulfonamide has a molecular weight of 320.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-piperidin-1-ylphenyl)imidazole-4-sulfonamide is sourced from PubChem (CID 2814215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).